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Title: Materials Data on Pr3Se4 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1287422· OSTI ID:1287422

Pr3Se4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Pr is bonded to eight equivalent Se atoms to form a mixture of distorted corner, edge, and face-sharing PrSe8 hexagonal bipyramids. There are four shorter (3.04 Å) and four longer (3.20 Å) Pr–Se bond lengths. Se is bonded to six equivalent Pr atoms to form a mixture of distorted corner, edge, and face-sharing SePr6 octahedra. The corner-sharing octahedra tilt angles range from 17–50°.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1287422
Report Number(s):
mp-722
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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